N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide

C12H13N3O2 — CID 820347

IUPACN-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2N=C(C)CC2=O)c1
InChIInChI=1S/C12H13N3O2/c1-8-6-12(17)15(14-8)11-5-3-4-10(7-11)13-9(2)16/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyJMRLMJRABIBXDY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.76
Rot. Bonds2

About N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide

N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide (PubChem CID 820347) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
PubChem CID820347
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(N2N=C(C)CC2=O)c1
InChIInChI=1S/C12H13N3O2/c1-8-6-12(17)15(14-8)11-5-3-4-10(7-11)13-9(2)16/h3-5,7H,6H2,1-2H3,(H,13,16)
InChIKeyJMRLMJRABIBXDY-UHFFFAOYSA-N
XLogP1.76
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-phenylurea
CID 27234834
5-methyl-2-(3-methylsulfanylphenyl)-4H-pyrazol-3-one
CID 10214499
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-3-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46957520
2-[3-(aminomethyl)phenyl]-5-methyl-4H-pyrazol-3-one
CID 82506511
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
N-[1-(4-methylphenyl)-5-oxo-4H-pyrazol-3-yl]acetamide
CID 131879928
2-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]-5-methyl-4H-pyrazol-3-one
CID 68740039
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 82092532
N-[3-(2-oxo-3,4-dihydropyridin-1-yl)phenyl]acetamide
CID 91074149
2-(4-bromophenyl)-5-methyl-4H-pyrazol-3-one
CID 1201017
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide (CID 820347) is N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide is CC(=O)Nc1cccc(N2N=C(C)CC2=O)c1.
What is the InChIKey of N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
The InChIKey is JMRLMJRABIBXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-6-12(17)15(14-8)11-5-3-4-10(7-11)13-9(2)16/h3-5,7H,6H2,1-2H3,(H,13,16).
What are the key properties of N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide?
N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide has a molecular weight of 231.25 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 820347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).